Structure of PDB 6knl Chain A Binding Site BS01

Receptor Information

>6knl Chain A (length=290) Species: 470 (Acinetobacter baumannii)

MIKKAVLPVAGLGTRFLPASKSIPKEMVTVVDRPAIEYVVREAVEAGIEQ
IILVTHSSKASIENYFDRNFELETTLEQKKKFDLLAEITQIVPEHVSVIS
VRQPQPLGLGHAVLCAKSVVGEDDFAVLLPDVLVKDGSGQNDLSRMISRY
NSSQAAQIMVEAVPDHLVDQYGIVDVAQSPNEGESIAMQGIVEKPPVGAA
PSNLSVVGRYVLPAKIMQLLENTPKGAGNEIQLTDAIAMLQDTDTVEAYR
MQGQTFDCGSKLGYLKAVLHYGLEHPKLGMEFKQLILELK

Ligand information

• Ligand ID: URI
• InChI: InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
• InChIKey: DRTQHJPVMGBUCF-XVFCMESISA-N
• SMILES:
  CACTVS 3.341: OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O
  OpenEye OEToolkits 1.5.0: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
  ACDLabs 10.04: O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)CO
  OpenEye OEToolkits 1.5.0: C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O
  CACTVS 3.341: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O
• Formula: C9 H12 N2 O6
• Name: URIDINE
• ChEMBL: CHEMBL100259
• DrugBank: DB02745
• ZINC: ZINC000002583633
• PDB chain: 6knl Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6knl Uridine and triphosphate-bound UGPase from acinetobacter baumannii
• Resolution: 2.32 Å
• Binding residue (original residue number in PDB): P7 G10 K24 Q102 P105 G107 P129 D130
• Binding residue (residue number reindexed from 1): P8 G11 K25 Q103 P106 G108 P130 D131
• Annotation score: 2

Enzymatic activity

• Enzyme Commision number: 2.7.7.9: UTP--glucose-1-phosphate uridylyltransferase.

Gene Ontology

Molecular Function

• GO:0003983 UTP:glucose-1-phosphate uridylyltransferase activity
• GO:0016779 nucleotidyltransferase activity

Biological Process

• GO:0006011 UDP-glucose metabolic process
• GO:0009058 biosynthetic process

External links

• PDB: RCSB:6knl, PDBe:6knl, PDBj:6knl
• PDBsum: 6knl
• UniProt: X2KZJ9